2-[(2-bromo-6-methylphenyl)methyl]-1H-imidazole

C11H11BrN2 — CID 58951728

IUPAC2-[(2-bromo-6-methylphenyl)methyl]-1H-imidazole
SMILESCc1cccc(Br)c1Cc1ncc[nH]1
InChIInChI=1S/C11H11BrN2/c1-8-3-2-4-10(12)9(8)7-11-13-5-6-14-11/h2-6H,7H2,1H3,(H,13,14)
InChIKeySADHCGNHUYHLEO-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.07
Rot. Bonds2

About 2-[(2-bromo-6-methylphenyl)methyl]-1H-imidazole

2-[(2-bromo-6-methylphenyl)methyl]-1H-imidazole (PubChem CID 58951728) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 2-[(2-bromo-6-methylphenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(2-bromo-6-methylphenyl)methyl]-1H-imidazole
PubChem CID58951728
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name2-[(2-bromo-6-methylphenyl)methyl]-1H-imidazole
SMILESCc1cccc(Br)c1Cc1ncc[nH]1
InChIInChI=1S/C11H11BrN2/c1-8-3-2-4-10(12)9(8)7-11-13-5-6-14-11/h2-6H,7H2,1H3,(H,13,14)
InChIKeySADHCGNHUYHLEO-UHFFFAOYSA-N
XLogP3.07
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-6-methylphenyl)methyl]-1H-imidazole?
The IUPAC name of 2-[(2-bromo-6-methylphenyl)methyl]-1H-imidazole (CID 58951728) is 2-[(2-bromo-6-methylphenyl)methyl]-1H-imidazole.
What is the SMILES notation for 2-[(2-bromo-6-methylphenyl)methyl]-1H-imidazole?
The canonical SMILES for 2-[(2-bromo-6-methylphenyl)methyl]-1H-imidazole is Cc1cccc(Br)c1Cc1ncc[nH]1.
What is the InChIKey of 2-[(2-bromo-6-methylphenyl)methyl]-1H-imidazole?
The InChIKey is SADHCGNHUYHLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c1-8-3-2-4-10(12)9(8)7-11-13-5-6-14-11/h2-6H,7H2,1H3,(H,13,14).
What are the key properties of 2-[(2-bromo-6-methylphenyl)methyl]-1H-imidazole?
2-[(2-bromo-6-methylphenyl)methyl]-1H-imidazole has a molecular weight of 251.13 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-6-methylphenyl)methyl]-1H-imidazole is sourced from PubChem (CID 58951728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).